Structure of PDB 4rh7 Chain A Binding Site BS01

Receptor Information
>4rh7 Chain A (length=3005) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGEVTIREALRELDLWGVGAVFTLIDYEDSQSRTMKLIKDWKDIVNQVGD
NRCLLQSLKDSPYYKGFEDKVSIWERKLAELDEYLQNLNHIQRKWVYLEP
IFGRGALPKEQTRFNRVDEDFRSIMTDIKKDNRVTTLTTHAGIRNSLLTI
LDQLQRCQRSLNEFLEEKRSAFPRFYFIGDDDLLEILGQSTNPSVIQSHL
KKLFAGINSVCFDEKSKHITAMKSLEGEVVPFKNKVPLSNNVETWLNDLA
LEMKKTLEQLLKECVTTGRSSQGAVDPSLFPSQILCLAEQIKFTEDVENA
IKDHSLHQIETQLVNKLEQYTNIDTSSEDPGNTESGILELKLKALILDII
HNIDVVKQLNQIQVHTTEDWAWKKQLRFYMKSDHTCCVQMVDSEFQYTYE
YQGNASKLVYTPLTDKCYLTLTQAMKMGLGGNPYGPAGTGKTESVKALGG
LLGRQVLVFNCDEGIDVKSMGRIFVGLVKCGAWGCFDEFNRLEESVLSAV
SMQIQTIQDALKNHRTVCELLGKEVEVNSNSGIFITMNPAGKGYGGRQKL
PDNLKQLFRPVAMSHPDNELIAEVILYSEGFKDAKVLSRKLVAIFNLSRE
LLTPQQHYDWGLRALKTVLRGSGNLLRQLNKSGTTQNANESHIVVQALRL
NTMSKFTFTDCTRFDALIKDVFPGIELKEVEYDELSAALKQVFEEANYEI
IPNQIKKALELYEQLCQRMGVVIVGPSGAGKSTLWRMLRAALCKTGKVVK
QYTMNPKAMPRYQLLGHIDMDTREWSDGVLTNSARQVVREPQDVSSWIIC
DGDIDPEWIESLNSVLDDNRLLTMPSGERIQFGPNVNFVFETHDLSCASP
ATISRMGMIFLSDEETDLNSLIKSWLRNQPAEYRNNLENWIGDYFEKALQ
WVLKQNDYVVETSLVGTVMNGLSHLHGCRDHDEFIINLIRGLGGNLNMKS
RLEFTKEVFHWARESPPDFHKPMDTYYDSTRGRLATYVLKKPEDLTADDF
SNGLTLPVIQTPDMQRGLDYFKPWLSSDTKQPFILVGPEGCGKGMLLRYA
FSQLRSTQIATVHCSAQTTSRHLLQKLSQTCMVISTNTGRVYRPKDCERL
VLYLKDINLPKLDKWGTSTLVAFLQQVLTYQGFYDENLEWVGLENIQIVA
SMSAGGRLGRHKLTTRFTSIVRLCSIDYPEREQLQTIYGAYLEPVLHKNL
KNHSIWGSSSKIYLLAGSMVQVYEQVRAKFTVDDYSHYFFTPCILTQWVL
GLFRYDLEGGSSNHPLDYVLEIVAYEARRLFRDKIVGAKELHLFDIILTS
VFQGDWGSDILDNMSDSFYVTWGARHNSGAPGQPLPPHGKPLGKLNSTDL
KDVIKKGLIHYGRDNQNLDILLFHEVLEYMSRIDRVLSFPGGSLLLAGRS
GVGRRTITSLVSHMHGAVLFSPKISRGYELKQFKNDLKHVLQLAGIEAQQ
VVLLLEDYQFVHPTFLEMINSLLSSGEVPGLYTLEELEPLLLPLKDQASQ
DGFFGPVFNYFTYRIQQNLHIVLIMDSANSNFMINCESNPALHKKCQVLW
MEGWSNSSMKKIPEMLFSEVDPDFLKSFLLIHESCKAYGATPSQYMTFLH
VYSAISSSKKKELLKRQSHLQAGVSKLNEAKALVDELNRKAGEQSVLLKT
KQDEADAALQMITVSMQDASEQKTELERLKHRIAEEVVKIEERKNKIDDE
LKEVQPLVNEAKLAVGNIKPESLSEIRSLRMPPDVIRDILEGVLRLMGIF
DTSWVSMKSFLAKRGVREDIATFDARNISKEIRESVEELLFKNKGSFDPK
NAKRASTAAAPLAAWVKANIQYSHVLERIHPLETEQAGLESNLKKTEDRK
RKLEELLNSVGQKVSELKEKFQSRTSEAAKLEAEVSKAQETIKAAEVLIN
QLDREHKRWNAQVVEITEELATLPKRAQLAAAFITYLSAAPESLRKTCLE
EWTKSAGLEKFDLRRFLCTESEQLIWKSEGLPSDDLSIENALVILQSRVC
PFLIDPSSQATEWLKTHLKDSRLEVINQQDSNFITALELAVRFGKTLIIQ
EMDGVEPVLYPLLRRDLVAQGPRYVVQIGDKIIDYNEEFRLFLSTRNPNP
FIPPDAASIVTEVNFTTTRSGLRGQLLALTIQHEKPDLEEQKTKLLQQEE
DKKIQLAKLEESLLETLATSQGNILENKDLIESLNQTKASSALIQESLKE
SYKLQISLDQERDAYLPLAESASKMYFIISDLSKINNMYRFSLAAFLRLF
QRALQNKQDSENTEQRIQSLISSLQHMVYEYICRCLFKADQLMFALHFVR
GMHPELFQENEWDTFTGVDQLPSWIDQERSWAVATLKIALPSLYQTLCFE
DAALWRTYYNNSMCEQEFPSILAKKVSLFQQILVVQVLRPDRLQSAMALF
ACKTLGLKEVSPLPLNLKRLYKETLEIEPILIIISPGADPSQELQELANA
ERSGECYHQVAMGQGQADLAIQMLKECARNGDWLCLKNLHLVVSWLPVLE
KELNTLQPKDTFRLWLTAEVHPNFTPILLQSSLKITYESPPGLKKNLMRT
YESWTPEQISKKDNTHRAHALFSLAWFHAACQERRNYIPQGWTKFYEFSL
SDLRAGYNIIDRLFDGAKDVQWEFVHGLLENAIYGGRIDNYFDLRVLQSY
LKQFFNSSVIIFPYSVSLPQSCSILDYRAVIEKIPEDDKPSFFGLPANIA
RSSQRMISSQVISQLRILGRSITAGSKFDREIWSNELSPVLNLWKKLNQN
SNLIHQKVPPPNDRQGSPILSFIILEQFNAIRLVQSVHQSLAALSKVIRG
TTLLSSEVQKLASALLNQKCPLAWQSKWEGPEDPLQYLRGLVARALAIQN
WVDKAEKQALLSETLDLSELFHPDTFLNALRQETARAVGRSVDSLKFVAS
WKGRLQEAKLQIKISGLLLEGCSFDGNQLSENQLDSPSVSSVLPCFMGWI
PQDACGPYSPDECISLPVYTSAERDRVVTNIDVPCGGNQDQWIQCGAALF
LKNQV
Ligand information
Ligand IDAOV
InChIInChI=1S/C10H15N5O10P2.3H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);3*1H2;;/q;;;;;+4/p-4/t4-,6-,7-,10-;;;;;/m1...../s1
InChIKeySWCHWRVRYDCWAN-AZGWGOJFSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)(O)O)O)O)N
CACTVS 3.352Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[CH](O)[CH]3O
CACTVS 3.352Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H17 N5 O14 P2 V
NameADP ORTHOVANADATE
ChEMBL
DrugBank
ZINC
PDB chain4rh7 Chain A Residue 4401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4rh7 Structure of human cytoplasmic dynein-2 primed for its power stroke.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		L1662 V1663 A1691 T1693 G1694 K1695 T1696 E1697 D1741 E1742 N1792 I1825 L1866 R1867 K1870 D2071 D2072 R2109
Binding residue
(residue number reindexed from 1)		L408 V409 A437 T439 G440 K441 T442 E443 D487 E488 N538 I571 L612 R613 K616 D817 D818 R855
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008569 minus-end-directed microtubule motor activity
GO:0016887 ATP hydrolysis activity
GO:0045505 dynein intermediate chain binding
GO:0051959 dynein light intermediate chain binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0007018 microtubule-based movement
GO:0008218 bioluminescence
Cellular Component
GO:0030286 dynein complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4rh7, PDBe:4rh7, PDBj:4rh7
PDBsum4rh7
PubMed25470043
UniProtQ8NCM8|DYHC2_HUMAN Cytoplasmic dynein 2 heavy chain 1 (Gene Name=DYNC2H1)

[Back to BioLiP]